4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

C15H19FO4 — CID 44631660

IUPAC4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCC1(C)OC2COC(C(F)OCc3ccccc3)C2O1
InChIInChI=1S/C15H19FO4/c1-15(2)19-11-9-17-13(12(11)20-15)14(16)18-8-10-6-4-3-5-7-10/h3-7,11-14H,8-9H2,1-2H3
InChIKeyZNBSQFUJYDJWLM-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.42
Rot. Bonds4

About 4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole

4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (PubChem CID 44631660) has the molecular formula C15H19FO4 and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.

Molecular Properties

Compound Name4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
PubChem CID44631660
Molecular FormulaC15H19FO4
Molecular Weight282.31 g/mol
Exact Mass282.13
IUPAC Name4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole
SMILESCC1(C)OC2COC(C(F)OCc3ccccc3)C2O1
InChIInChI=1S/C15H19FO4/c1-15(2)19-11-9-17-13(12(11)20-15)14(16)18-8-10-6-4-3-5-7-10/h3-7,11-14H,8-9H2,1-2H3
InChIKeyZNBSQFUJYDJWLM-UHFFFAOYSA-N
XLogP2.42
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole with MolForge

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Related Compounds

Benzaldehyde propylene glycol acetal
CID 595928
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
Benzyl beta-D-ribofuranoside
CID 11149145
1,3-Dioxolane, 4,5-dimethyl-2-phenyl-
CID 221639
3-O-Benzyl-1,2:5,6-di-O-isopropylidene-alpha-D-glucofuranose
CID 97907
2-Methyl-2-[4-[[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane
CID 13068972
2-Methyl-2-[3-[[3-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane
CID 155538832
2-Methyl-2-[2-[[2-(2-methyl-1,3-dioxolan-2-yl)phenyl]ditellanyl]phenyl]-1,3-dioxolane
CID 23162638
2,2-Dimethyl-4-((phenylmethoxy)methyl)-1,3-dioxolane
CID 85795
2,2-Dimethyl-4-phenyl-1,3-dioxolane
CID 537869
4-[(Benzyloxy)methyl]-1,3-dioxolan-2-one
CID 4166832
3-O-Benzyl-4-(hydroxymethyl)-1,2-O-isopropylidene-a-D-ribofuranose
CID 10881451

Frequently Asked Questions

What is the IUPAC name of 4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The IUPAC name of 4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole (CID 44631660) is 4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole.
What is the SMILES notation for 4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The canonical SMILES for 4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is CC1(C)OC2COC(C(F)OCc3ccccc3)C2O1.
What is the InChIKey of 4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
The InChIKey is ZNBSQFUJYDJWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FO4/c1-15(2)19-11-9-17-13(12(11)20-15)14(16)18-8-10-6-4-3-5-7-10/h3-7,11-14H,8-9H2,1-2H3.
What are the key properties of 4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole?
4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole has a molecular weight of 282.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[fluoro(phenylmethoxy)methyl]-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxole is sourced from PubChem (CID 44631660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).